N-(2-methylsulfanylphenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-(2-methylsulfanylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[2-(methylthio)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(2-methylsulfanylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[2-(methylthio)phenyl]-3-nitro-benzenesulfonamide Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S2/c1-21-13-5-3-2-4-10(13)14-22(19,20)9-6-7-12(16)11(8-9)15(17)18/h2-8,14,16H,1H3